JobID: dqcneh084-0-571996fc
 BatchMin V10.3    Build  103013  Starting Time 21-Apr-2016 23:14:04
 MacroModel. Copyright Schrodinger, LLC.
 All rights reserved.

 Input filename:  X004.mae
 Output filename: X004.q2mm.mae
 Turning on debug switch          57
 Atom-type file: ./atom.typ
 Force field: ./mm3.fld
 Read    62 atoms. Structure name, if any, appears on next line: 
 X004.02
 Quality of Force Field Parameters in Use:
   Numbers of high, medium and low quality stretch parameters =   31    2    0
   Numbers of high, medium and low quality bend parameters    =   59    5   27
     Low quality bend on force field line     294
     Low quality bend on force field line     304
     Low quality bend on force field line     330
     Low quality bend on force field line     331
     Low quality bend on force field line     332
     Low quality bend on force field line     335
     Low quality bend on force field line     336
     Low quality bend on force field line     413
     Low quality bend on force field line     414
   Numbers of high, medium and low quality torsion parameters =   64    2   66
     Low quality torsion on force field line  857
     Low quality torsion on force field line  858
     Low quality torsion on force field line  859
     Low quality torsion on force field line  864
     Low quality torsion on force field line  865
     Low quality torsion on force field line  866
     Low quality torsion on force field line  950
     Low quality torsion on force field line  951
     Low quality torsion on force field line  952
     Low quality torsion on force field line  990
     Low quality torsion on force field line  991
   Interactions examined:        446 of        446 total, including unused params.
 WARNING - Conformational Energies May Not Be Accurate
      Stretch total=       67   constrained=        0
         Bend total=      138   constrained=        0        linear=        0
      Torsion total=      251   constrained=        0  out-of-plane=       10
    Nonbonded total=     1550      H-bonded=        0      ordinary=     1550
  Nonbonded cutoffs: CutVdw=   7.00    ;  CutEs=   12.0    

Total energy:             266.8038 kJ/mol (      63.7676 kcal/mol )
 Force-field terms:       266.8038 kJ/mol (      63.7676 kcal/mol )
  Stretch:                 90.8046 kJ/mol (      21.7028 kcal/mol )
  Bend:                    97.9549 kJ/mol (      23.4118 kcal/mol )
  Proper torsion:          12.8780 kJ/mol (       3.0779 kcal/mol )
  Out-of-plane:             2.8362 kJ/mol (       0.6779 kcal/mol )
  Stretch-bend:            -2.6937 kJ/mol (      -0.6438 kcal/mol )
  Bend-bend:               -0.5009 kJ/mol (      -0.1197 kcal/mol )
  Torsion-stretch:         -0.3559 kJ/mol (      -0.0851 kcal/mol )
  Van der Waals:           43.0134 kJ/mol (      10.2804 kcal/mol )
  Electrostatic:           22.8672 kJ/mol (       5.4654 kcal/mol )
  Hydrogen bonding:         0.0000 kJ/mol (       0.0000 kcal/mol )
 Total Energy =     266.804 kJ/mol
 Quality of Force Field Parameters in Use:
   Numbers of high, medium and low quality stretch parameters =   31    2    0
   Numbers of high, medium and low quality bend parameters    =   59    5   27
     Low quality bend on force field line     294
     Low quality bend on force field line     304
     Low quality bend on force field line     330
     Low quality bend on force field line     331
     Low quality bend on force field line     332
     Low quality bend on force field line     335
     Low quality bend on force field line     336
     Low quality bend on force field line     413
     Low quality bend on force field line     414
   Numbers of high, medium and low quality torsion parameters =   64    2   66
     Low quality torsion on force field line  857
     Low quality torsion on force field line  858
     Low quality torsion on force field line  859
     Low quality torsion on force field line  864
     Low quality torsion on force field line  865
     Low quality torsion on force field line  866
     Low quality torsion on force field line  950
     Low quality torsion on force field line  951
     Low quality torsion on force field line  952
     Low quality torsion on force field line  990
     Low quality torsion on force field line  991
   Interactions examined:        446 of        446 total, including unused params.
 WARNING - Conformational Energies May Not Be Accurate
      Stretch total=       67   constrained=        0
         Bend total=      138   constrained=        0        linear=        0
      Torsion total=      187   constrained=        0  out-of-plane=       10
    Nonbonded total=     1550      H-bonded=        0      ordinary=     1550
  Nonbonded cutoffs: CutVdw=   7.00    ;  CutEs=   12.0    
 Starting conjugate gradient minimization.
 Iterations =         500  out of          500
 Conf    1 E =     134.889 (  0.055) kJ/mol

Total energy:             134.8888 kJ/mol (      32.2392 kcal/mol )
 Force-field terms:       134.8888 kJ/mol (      32.2392 kcal/mol )
  Stretch:                 10.1850 kJ/mol (       2.4343 kcal/mol )
  Bend:                    56.8104 kJ/mol (      13.5780 kcal/mol )
  Proper torsion:           5.6707 kJ/mol (       1.3553 kcal/mol )
  Out-of-plane:             1.7877 kJ/mol (       0.4273 kcal/mol )
  Stretch-bend:            -1.4919 kJ/mol (      -0.3566 kcal/mol )
  Bend-bend:                0.4684 kJ/mol (       0.1119 kcal/mol )
  Torsion-stretch:         -0.3562 kJ/mol (      -0.0851 kcal/mol )
  Van der Waals:           37.9713 kJ/mol (       9.0754 kcal/mol )
  Electrostatic:           23.8435 kJ/mol (       5.6987 kcal/mol )
  Hydrogen bonding:         0.0000 kJ/mol (       0.0000 kcal/mol )
 Total Energy =     134.889 kJ/mol
 Total number of structures processed =           1
 
BatchMin: normal termination                           21-Apr-2016 23:14:05

real	0m0.432s
user	0m0.319s
sys	0m0.056s